Geometry & MOs

Info

ID:	41972
PubChem CID:	8147985
Reduced:	SF2O2N3H13C18 (1)
Stoich.:	AB2C2D3E13F18 (1)
Weight, g/mol:	220.170139
ΔH_f, kcal/mol:	-90.4
Dipole, Da:	5.11
IP(EA), eV:	-8.93(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1R)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]-1-phenylethanol

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)NC(=N2)/C(=C/C3=CC=C(C=C3)OC(F)F)/C#N)C

DOS

IR

Vibrations